#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqr s LYS 2 N 0.00 3.39 -0.03 2.12 1.02 -1.26 -4.84 119.74 120.14 1uqr s LYS 2 Ca 0.00 1.72 0.06 0.00 0.02 0.00 0.00 55.97 57.78 1uqr s LYS 2 Cb 0.00 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1uqr s LYS 2 CO 0.00 -0.85 -0.21 0.21 -0.92 0.00 0.00 175.35 173.58 1uqr s LYS 3 N -3.11 1.87 0.00 1.68 2.20 -1.26 -2.14 119.74 118.97 1uqr s LYS 3 Ca 0.71 -0.76 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 1uqr s LYS 3 Cb -0.27 -1.73 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 1uqr s LYS 3 CO 0.31 0.41 -0.22 0.42 -0.36 0.00 0.00 175.35 175.91 1uqr s ILE 4 N -0.36 2.43 -0.13 5.43 1.01 -0.11 -0.74 121.20 128.73 1uqr s ILE 4 Ca 0.04 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 59.60 1uqr s ILE 4 Cb -0.10 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1uqr s ILE 4 CO 0.00 0.48 -0.22 -0.22 0.00 0.00 0.00 174.94 174.98 1uqr s LEU 5 N -0.97 2.14 -0.22 2.97 2.96 -0.23 -1.14 118.68 124.20 1uqr s LEU 5 Ca 0.12 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 1uqr s LEU 5 Cb -0.10 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 1uqr s LEU 5 CO 0.01 0.10 0.12 -0.22 -1.32 0.00 0.00 176.35 175.05 1uqr s LEU 6 N 0.70 4.03 -0.06 -0.68 2.96 0.15 -0.92 118.68 124.85 1uqr s LEU 6 Ca -0.10 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1uqr s LEU 6 Cb -0.16 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 1uqr s LEU 6 CO 0.01 0.12 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.20 1uqr s LEU 7 N 0.74 1.94 -0.05 -0.68 1.43 0.05 -1.23 118.68 120.87 1uqr s LEU 7 Ca 0.06 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1uqr s LEU 7 Cb -0.13 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.00 1uqr s LEU 7 CO 0.02 0.16 -0.14 0.20 0.23 0.00 0.00 176.35 176.81 1uqr s ASN 8 N 0.12 1.94 0.21 2.29 0.01 -0.53 -1.24 114.94 117.73 1uqr s ASN 8 Ca -0.07 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 1uqr s ASN 8 Cb -0.13 -0.71 0.00 0.00 0.41 0.00 0.00 41.25 40.81 1uqr s ASN 8 CO 0.04 0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 1uqr n GLY 9 N 3.47 -0.18 3.63 0.66 0.00 0.98 -2.55 105.19 111.20 1uqr n GLY 9 Ca -0.20 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1uqr n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uqr n PRO 10 N -0.28 1.55 0.00 1.61 -0.04 -0.98 -2.83 135.00 134.03 1uqr n PRO 10 Ca 0.00 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1uqr n PRO 10 Cb 0.00 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1uqr n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uqr n ASN 11 N 0.81 0.00 0.26 3.54 3.02 -1.26 -4.47 115.26 117.16 1uqr n ASN 11 Ca 0.08 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.81 1uqr n ASN 11 Cb 0.36 -0.66 0.75 0.00 -0.61 0.00 0.00 39.78 39.62 1uqr n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uqr h LEU 12 N 0.00 0.00 -1.56 3.41 3.38 -1.89 -1.01 115.31 117.64 1uqr h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uqr h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uqr h LEU 12 CO 0.00 0.00 0.00 -0.55 0.09 0.00 0.00 178.44 177.98 1uqr h ASN 13 N 0.00 0.00 -0.06 -0.43 -1.07 -1.87 -2.78 115.58 109.38 1uqr h ASN 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1uqr h ASN 13 Cb 0.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.64 1uqr h ASN 13 CO 0.00 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.73 1uqr n MET 14 N -2.84 1.47 -1.62 4.14 2.81 -0.38 -4.71 117.12 115.98 1uqr n MET 14 Ca 0.00 -0.69 -0.41 0.00 -1.81 0.00 0.00 57.70 54.79 1uqr n MET 14 Cb 0.23 -1.43 0.01 0.00 -0.71 0.00 0.00 33.22 31.32 1uqr n MET 14 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1uqr n LEU 15 N -0.13 2.76 0.00 4.03 4.77 -1.05 -2.78 117.00 124.60 1uqr n LEU 15 Ca 0.18 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1uqr n LEU 15 Cb 0.26 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1uqr n LEU 15 CO 0.15 -1.44 0.00 0.61 -1.33 0.00 0.00 177.39 175.37 1uqr n GLY 16 N 1.16 2.99 7.00 -0.72 0.00 -1.12 -4.28 105.19 110.23 1uqr n GLY 16 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1uqr n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uqr n LYS 17 N 0.00 0.00 -2.38 1.61 4.01 -1.12 -3.92 118.16 116.36 1uqr n LYS 17 Ca 0.00 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.39 1uqr n LYS 17 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 1uqr n LYS 17 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1uqr s ARG 18 N 0.00 4.49 -0.45 1.97 3.03 -1.26 -4.22 118.95 122.51 1uqr s ARG 18 Ca 0.00 1.86 -0.08 0.00 2.03 0.00 0.00 55.73 59.54 1uqr s ARG 18 Cb 0.00 -3.25 0.01 0.00 -1.03 0.00 0.00 34.95 30.69 1uqr s ARG 18 CO 0.00 -0.09 0.40 0.39 -1.13 0.00 0.00 175.30 174.87 1uqr n GLU 19 N 2.55 -1.07 -0.34 3.89 -0.58 -1.26 -4.85 120.64 118.98 1uqr n GLU 19 Ca 0.04 0.62 -0.02 0.00 -0.42 0.00 0.00 57.16 57.38 1uqr n GLU 19 Cb 0.45 -1.37 0.10 0.00 -0.57 0.00 0.00 31.44 30.05 1uqr n GLU 19 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1uqr h PRO 20 N 0.55 1.19 -0.97 3.49 0.11 -1.73 -3.08 132.00 131.56 1uqr h PRO 20 Ca -0.40 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1uqr h PRO 20 Cb 0.91 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 1uqr h PRO 20 CO 0.21 0.79 0.06 0.72 -0.21 0.00 0.00 178.00 179.57 1uqr n HIS 21 N -4.46 0.46 0.34 0.65 8.25 -1.26 -2.09 115.22 117.11 1uqr n HIS 21 Ca 0.11 -0.47 0.08 0.00 -0.26 0.00 0.00 57.72 57.19 1uqr n HIS 21 Cb 0.04 -0.28 -0.12 0.00 1.12 0.00 0.00 29.99 30.75 1uqr n HIS 21 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1uqr n ILE 22 N 0.17 0.00 -2.14 1.59 -0.00 -1.17 -4.70 119.36 113.11 1uqr n ILE 22 Ca 0.08 -0.27 -0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1uqr n ILE 22 Cb 0.58 0.50 -0.01 0.00 -0.00 0.00 0.00 39.64 40.71 1uqr n ILE 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1uqr n TYR 23 N -1.79 0.00 -0.29 1.39 9.36 -1.25 -5.01 117.16 119.57 1uqr n TYR 23 Ca -0.00 -0.22 0.00 0.00 3.32 0.00 0.00 57.90 60.99 1uqr n TYR 23 Cb 0.36 0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.15 1uqr n TYR 23 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1uqr n GLY 24 N 0.14 0.85 3.94 2.98 0.00 -1.26 -5.08 105.19 106.76 1uqr n GLY 24 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1uqr n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uqr s SER 25 N -2.03 4.84 0.03 1.61 0.15 -0.89 -5.05 113.70 112.36 1uqr s SER 25 Ca 0.00 0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.91 1uqr s SER 25 Cb 0.00 -0.99 -0.01 0.00 -1.71 0.00 0.00 66.02 63.31 1uqr s SER 25 CO 0.00 -1.54 0.10 0.00 1.20 0.00 0.00 173.24 172.99 1uqr s GLN 26 N -5.16 0.58 0.57 5.44 -2.07 -1.26 -4.29 119.66 113.48 1uqr s GLN 26 Ca 0.60 -0.72 0.02 0.00 -1.82 0.00 0.00 55.36 53.44 1uqr s GLN 26 Cb -0.10 0.23 0.05 0.00 -1.09 0.00 0.00 33.01 32.10 1uqr s GLN 26 CO 0.44 -0.14 0.80 0.95 -1.32 0.00 0.00 175.29 176.01 1uqr s THR 27 N -2.49 2.57 0.26 3.63 -4.23 -1.26 -2.77 115.64 111.35 1uqr s THR 27 Ca -0.06 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1uqr s THR 27 Cb -0.02 -2.88 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1uqr s THR 27 CO -0.04 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 175.94 1uqr h LEU 28 N 0.01 0.39 -0.85 4.79 5.85 -1.81 -2.69 115.31 121.00 1uqr h LEU 28 Ca -0.40 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.18 1uqr h LEU 28 Cb 1.29 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1uqr h LEU 28 CO 0.49 0.77 0.54 0.28 -0.34 0.00 0.00 178.44 180.18 1uqr h SER 29 N 0.31 0.90 -0.25 1.25 0.02 -1.94 0.17 113.55 114.01 1uqr h SER 29 Ca 0.03 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1uqr h SER 29 Cb 0.87 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1uqr h SER 29 CO 0.07 0.62 0.14 0.44 -1.14 0.00 0.00 176.83 176.96 1uqr h ASP 30 N 1.05 0.31 -0.48 3.07 3.32 -1.87 -1.60 116.42 120.23 1uqr h ASP 30 Ca 0.34 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1uqr h ASP 30 Cb 0.02 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1uqr h ASP 30 CO -0.12 0.30 0.21 0.40 -1.72 0.00 0.00 179.24 178.31 1uqr h ILE 31 N 0.30 1.20 -0.47 0.35 2.04 -1.18 -1.39 117.51 118.36 1uqr h ILE 31 Ca 0.09 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1uqr h ILE 31 Cb 0.06 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1uqr h ILE 31 CO -0.01 0.23 0.23 -0.33 0.00 0.00 0.00 178.15 178.26 1uqr h GLU 32 N 0.63 0.68 -0.42 2.37 5.08 -0.87 -1.27 114.58 120.78 1uqr h GLU 32 Ca 0.16 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1uqr h GLU 32 Cb 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1uqr h GLU 32 CO -0.02 0.58 0.19 1.96 -1.00 0.00 0.00 179.01 180.72 1uqr h GLN 33 N 0.62 0.61 -0.06 2.33 4.20 -1.15 -1.03 115.11 120.64 1uqr h GLN 33 Ca 0.16 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1uqr h GLN 33 Cb 0.12 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1uqr h GLN 33 CO -0.02 0.54 -0.06 1.25 -0.67 0.00 0.00 178.83 179.87 1uqr h HIS 34 N 0.53 -0.15 -0.52 2.96 2.76 -1.05 -0.83 115.15 118.86 1uqr h HIS 34 Ca 0.14 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.22 1uqr h HIS 34 Cb 0.14 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1uqr h HIS 34 CO -0.01 -0.10 -0.08 -0.07 -1.30 0.00 0.00 177.93 176.37 1uqr h LEU 35 N -0.08 0.97 0.12 0.26 3.38 -1.16 -1.31 115.31 117.49 1uqr h LEU 35 Ca 0.05 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1uqr h LEU 35 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1uqr h LEU 35 CO -0.11 1.09 -0.06 -0.61 0.09 0.00 0.00 178.44 178.85 1uqr h GLN 36 N 0.84 -0.15 -0.72 1.13 4.15 -1.01 -0.69 115.11 118.65 1uqr h GLN 36 Ca 0.14 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1uqr h GLN 36 Cb 0.64 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 1uqr h GLN 36 CO 0.04 -0.09 0.28 1.96 -1.93 0.00 0.00 178.83 179.09 1uqr h GLN 37 N -0.17 1.08 -0.61 1.69 1.08 -1.13 -1.69 115.11 115.36 1uqr h GLN 37 Ca -0.02 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 56.91 1uqr h GLN 37 Cb 0.13 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1uqr h GLN 37 CO 0.03 0.89 0.09 0.77 -0.95 0.00 0.00 178.83 179.66 1uqr h SER 38 N 1.03 0.94 -0.44 1.46 0.02 -1.06 -1.02 113.55 114.48 1uqr h SER 38 Ca 0.24 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1uqr h SER 38 Cb 0.22 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1uqr h SER 38 CO -0.02 0.94 -0.29 0.00 -1.14 0.00 0.00 176.83 176.33 1uqr h ALA 39 N 1.17 0.63 -0.51 3.77 0.00 -0.91 -3.02 119.26 120.38 1uqr h ALA 39 Ca 0.19 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1uqr h ALA 39 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1uqr h ALA 39 CO 0.01 0.67 0.12 1.96 0.00 0.00 0.00 179.25 182.01 1uqr h GLN 40 N 0.82 0.79 0.00 0.00 4.20 -1.03 -0.72 115.11 119.17 1uqr h GLN 40 Ca 0.09 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1uqr h GLN 40 Cb 0.88 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1uqr h GLN 40 CO 0.08 0.71 -0.01 0.00 -0.67 0.00 0.00 178.83 178.94 1uqr h ALA 41 N 1.37 1.02 -0.30 3.87 0.00 -1.06 -1.22 119.26 122.94 1uqr h ALA 41 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1uqr h ALA 41 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1uqr h ALA 41 CO -0.00 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1uqr n GLN 42 N -3.13 2.44 -0.78 0.00 1.13 -0.75 -4.95 117.38 111.35 1uqr n GLN 42 Ca -0.01 -2.16 0.00 0.00 -1.94 0.00 0.00 57.00 52.89 1uqr n GLN 42 Cb 0.20 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1uqr n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uqr n GLY 43 N 1.46 0.62 3.43 1.08 0.00 -0.46 -5.07 105.19 106.25 1uqr n GLY 43 Ca 0.18 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 1uqr n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uqr s TYR 44 N -2.00 2.35 -0.13 1.61 2.02 -0.35 -4.69 117.35 116.16 1uqr s TYR 44 Ca 0.00 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 1uqr s TYR 44 Cb 0.00 -1.21 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 1uqr s TYR 44 CO 0.00 0.44 0.20 -2.00 -1.57 0.00 0.00 175.55 172.62 1uqr s GLU 45 N -2.43 3.81 -0.09 -0.62 2.12 -0.91 -2.72 118.70 117.86 1uqr s GLU 45 Ca 0.19 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.48 1uqr s GLU 45 Cb -0.09 -3.28 0.02 0.00 0.26 0.00 0.00 34.13 31.04 1uqr s GLU 45 CO 0.09 0.57 -0.06 -1.17 -0.54 0.00 0.00 175.26 174.15 1uqr s LEU 46 N -0.48 1.15 0.22 2.70 0.20 -1.26 -0.93 118.68 120.27 1uqr s LEU 46 Ca 0.15 -0.23 0.05 0.00 0.69 0.00 0.00 54.13 54.80 1uqr s LEU 46 Cb -0.13 -0.69 -0.03 0.00 -0.43 0.00 0.00 46.19 44.91 1uqr s LEU 46 CO 0.04 -0.10 0.25 -1.81 -0.29 0.00 0.00 176.35 174.43 1uqr s ASP 47 N 1.48 5.87 0.04 3.68 1.01 -0.29 -4.84 116.67 123.62 1uqr s ASP 47 Ca -0.01 -0.07 -0.03 0.00 0.71 0.00 0.00 52.55 53.15 1uqr s ASP 47 Cb -0.13 -1.62 -0.02 0.00 1.01 0.00 0.00 42.92 42.16 1uqr s ASP 47 CO -0.04 -0.01 0.03 -0.72 0.21 0.00 0.00 175.17 174.63 1uqr s TYR 48 N -1.96 0.34 -0.12 4.23 -0.85 -1.26 -0.68 117.35 117.06 1uqr s TYR 48 Ca 0.33 -0.75 -0.28 0.00 -0.52 0.00 0.00 57.07 55.84 1uqr s TYR 48 Cb -0.09 -0.25 0.07 0.00 0.38 0.00 0.00 41.96 42.07 1uqr s TYR 48 CO 0.26 -0.36 0.67 0.12 -1.52 0.00 0.00 175.55 174.73 1uqr s PHE 49 N -3.08 -0.68 0.00 -3.49 5.36 -0.37 -4.94 117.98 110.79 1uqr s PHE 49 Ca -0.01 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 1uqr s PHE 49 Cb 0.02 0.35 -0.00 0.00 -0.34 0.00 0.00 43.02 43.05 1uqr s PHE 49 CO -0.07 -0.52 -0.00 -1.14 -1.46 0.00 0.00 175.22 172.02 1uqr s GLN 50 N -0.69 0.03 0.10 10.12 -0.44 -1.26 -1.46 119.66 126.06 1uqr s GLN 50 Ca -0.08 -0.07 -0.20 0.00 -2.50 0.00 0.00 55.36 52.51 1uqr s GLN 50 Cb -0.02 0.01 0.05 0.00 -1.64 0.00 0.00 33.01 31.41 1uqr s GLN 50 CO 0.07 -0.01 0.50 0.00 0.50 0.00 0.00 175.29 176.35 1uqr s ALA 51 N -0.16 -1.26 -1.57 1.58 0.00 -1.06 -5.00 121.76 114.31 1uqr s ALA 51 Ca -0.02 0.36 0.20 0.00 0.00 0.00 0.00 51.96 52.49 1uqr s ALA 51 Cb -0.01 0.60 0.61 0.00 0.00 0.00 0.00 23.12 24.32 1uqr s ALA 51 CO -0.00 -0.61 1.51 0.09 0.00 0.00 0.00 175.76 176.75 1uqr n ASN 52 N 0.02 3.99 -4.02 0.00 3.02 -1.26 -2.33 115.26 114.67 1uqr n ASN 52 Ca -0.17 -2.13 -0.08 0.00 -0.03 0.00 0.00 54.58 52.17 1uqr n ASN 52 Cb 0.62 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 39.22 1uqr n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1uqr s GLY 53 N -1.00 0.33 0.21 7.41 0.00 -1.26 -4.72 107.32 108.29 1uqr s GLY 53 Ca 0.45 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 44.22 1uqr s GLY 53 CO 0.28 -0.96 1.80 0.83 0.00 0.00 0.00 173.10 175.05 1uqr h GLU 54 N 3.86 1.10 -0.25 2.90 5.08 -1.99 -2.75 114.58 122.53 1uqr h GLU 54 Ca -0.33 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1uqr h GLU 54 Cb 1.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1uqr h GLU 54 CO 0.53 0.86 0.14 1.49 -1.00 0.00 0.00 179.01 181.03 1uqr h GLU 55 N 1.07 0.28 -0.44 2.33 4.81 -1.98 0.18 114.58 120.84 1uqr h GLU 55 Ca 0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1uqr h GLU 55 Cb 0.12 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1uqr h GLU 55 CO -0.03 0.19 0.28 0.77 -0.73 0.00 0.00 179.01 179.48 1uqr h SER 56 N 0.29 0.51 -0.37 1.04 0.02 -1.98 -0.42 113.55 112.65 1uqr h SER 56 Ca 0.10 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1uqr h SER 56 Cb 0.01 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1uqr h SER 56 CO -0.06 0.39 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.85 1uqr h LEU 57 N 0.59 0.73 -0.64 5.07 3.38 -1.25 -2.40 115.31 120.78 1uqr h LEU 57 Ca 0.16 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1uqr h LEU 57 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1uqr h LEU 57 CO -0.03 0.93 0.10 0.40 0.09 0.00 0.00 178.44 179.93 1uqr h ILE 58 N 0.52 1.26 -0.73 1.22 2.04 -0.51 -1.33 117.51 119.98 1uqr h ILE 58 Ca 0.09 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 1uqr h ILE 58 Cb 0.62 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1uqr h ILE 58 CO 0.04 0.38 0.31 0.78 0.00 0.00 0.00 178.15 179.66 1uqr h ASN 59 N 0.98 0.97 -0.16 1.72 2.35 -1.03 -0.24 115.58 120.17 1uqr h ASN 59 Ca 0.19 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1uqr h ASN 59 Cb 0.44 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1uqr h ASN 59 CO 0.01 0.85 -0.27 -0.09 -1.65 0.00 0.00 177.43 176.28 1uqr h ARG 60 N 1.05 0.63 -0.45 0.81 9.65 -1.03 -1.26 114.38 123.77 1uqr h ARG 60 Ca 0.25 -0.26 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 1uqr h ARG 60 Cb 0.17 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1uqr h ARG 60 CO -0.03 0.83 0.02 0.82 2.80 0.00 0.00 179.97 184.42 1uqr h ILE 61 N 0.54 1.26 -0.45 1.20 2.04 -0.69 -2.59 117.51 118.82 1uqr h ILE 61 Ca 0.07 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1uqr h ILE 61 Cb 0.74 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1uqr h ILE 61 CO 0.06 0.35 0.07 0.45 0.00 0.00 0.00 178.15 179.08 1uqr h HIS 62 N 0.62 0.72 0.00 1.37 3.86 -0.84 -2.25 115.15 118.62 1uqr h HIS 62 Ca 0.13 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1uqr h HIS 62 Cb 0.46 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1uqr h HIS 62 CO 0.03 0.63 -0.10 1.96 0.86 0.00 0.00 177.93 181.32 1uqr h GLN 63 N 0.67 0.00 0.00 2.45 4.20 -0.93 -2.28 115.11 119.22 1uqr h GLN 63 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1uqr h GLN 63 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1uqr h GLN 63 CO 0.00 0.10 -0.03 0.00 -0.67 0.00 0.00 178.83 178.24 1uqr n ALA 64 N -2.22 2.32 -1.66 3.87 0.00 -0.85 -4.83 120.51 117.14 1uqr n ALA 64 Ca -0.01 -0.04 -0.49 0.00 0.00 0.00 0.00 53.44 52.89 1uqr n ALA 64 Cb 0.25 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 1uqr n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uqr n PHE 65 N -2.15 2.09 -0.91 0.00 -0.00 -0.86 -1.61 117.46 114.03 1uqr n PHE 65 Ca 0.06 0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.82 1uqr n PHE 65 Cb 0.42 -2.52 0.00 0.00 -0.00 0.00 0.00 39.48 37.38 1uqr n PHE 65 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1uqr n GLN 66 N 4.26 -0.70 0.00 -4.13 6.02 -1.26 -4.72 117.38 116.85 1uqr n GLN 66 Ca 0.20 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 1uqr n GLN 66 Cb 0.25 -3.89 0.00 0.00 1.02 0.00 0.00 30.24 27.62 1uqr n GLN 66 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1uqr n ASN 67 N -0.35 0.03 -4.36 1.08 0.23 -0.86 -5.06 115.26 105.98 1uqr n ASN 67 Ca 0.00 -0.22 -0.32 0.00 -0.53 0.00 0.00 54.58 53.50 1uqr n ASN 67 Cb 0.17 0.27 -0.15 0.00 -2.08 0.00 0.00 39.78 38.00 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1uqr s THR 68 N -0.27 2.62 -0.36 5.53 2.01 -0.63 -4.62 115.64 119.92 1uqr s THR 68 Ca 0.00 -0.85 0.22 0.00 0.31 0.00 0.00 61.69 61.36 1uqr s THR 68 Cb 0.00 -2.02 -0.25 0.00 0.01 0.00 0.00 72.50 70.24 1uqr s THR 68 CO 0.00 0.56 0.71 0.47 -0.69 0.00 0.00 174.62 175.67 1uqr n ASP 69 N 2.94 0.39 -3.56 3.53 9.92 0.08 -4.93 116.55 124.92 1uqr n ASP 69 Ca -0.18 -0.23 -0.15 0.00 -0.53 0.00 0.00 54.79 53.70 1uqr n ASP 69 Cb 0.52 1.46 -0.06 0.00 -0.64 0.00 0.00 41.12 42.40 1uqr n ASP 69 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1uqr s PHE 70 N -3.34 -0.64 -0.01 1.24 2.19 -1.17 -4.49 117.98 111.77 1uqr s PHE 70 Ca -0.02 1.24 0.07 0.00 0.33 0.00 0.00 56.93 58.55 1uqr s PHE 70 Cb 0.14 0.38 -0.02 0.00 -1.31 0.00 0.00 43.02 42.22 1uqr s PHE 70 CO 0.87 -0.49 -0.21 0.42 1.83 0.00 0.00 175.22 177.64 1uqr s ILE 71 N -0.73 1.67 -0.18 3.12 1.01 -0.47 -1.06 121.20 124.55 1uqr s ILE 71 Ca -0.06 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1uqr s ILE 71 Cb -0.02 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1uqr s ILE 71 CO 0.06 0.43 -0.18 -0.63 0.00 0.00 0.00 174.94 174.61 1uqr s ILE 72 N -0.54 2.23 -0.02 2.92 1.01 -0.10 -1.57 121.20 125.13 1uqr s ILE 72 Ca 0.08 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1uqr s ILE 72 Cb -0.08 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1uqr s ILE 72 CO -0.00 0.53 -0.04 -0.51 0.00 0.00 0.00 174.94 174.91 1uqr s ILE 73 N 1.27 0.43 -0.41 2.92 2.07 -0.41 -0.77 121.20 126.29 1uqr s ILE 73 Ca 0.04 -0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.15 1uqr s ILE 73 Cb -0.13 -0.43 0.11 0.00 0.13 0.00 0.00 42.46 42.14 1uqr s ILE 73 CO -0.11 0.17 0.17 0.21 -1.91 0.00 0.00 174.94 173.47 1uqr s ASN 74 N 0.50 4.97 0.00 4.50 3.84 -0.37 -1.01 114.94 127.36 1uqr s ASN 74 Ca -0.06 -2.26 0.24 0.00 0.21 0.00 0.00 52.86 50.99 1uqr s ASN 74 Cb -0.09 -1.73 1.37 0.00 -0.55 0.00 0.00 41.25 40.24 1uqr s ASN 74 CO -0.00 -0.43 1.79 -0.81 -2.79 0.00 0.00 177.10 174.85 1uqr n PRO 75 N 4.21 0.65 0.00 0.43 -0.04 -1.26 -0.02 135.00 138.97 1uqr n PRO 75 Ca 0.02 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1uqr n PRO 75 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1uqr n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uqr n GLY 76 N 0.54 1.99 0.31 0.55 0.00 -1.26 -2.29 105.19 105.03 1uqr n GLY 76 Ca 0.16 -0.51 0.15 0.00 0.00 0.00 0.00 46.02 45.82 1uqr n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 77 N -0.90 1.75 0.00 4.61 0.00 -1.95 -1.58 119.26 121.20 1uqr h ALA 77 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uqr h ALA 77 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uqr h ALA 77 CO 0.00 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.30 1uqr n PHE 78 N -3.96 0.35 -0.37 0.00 3.72 -0.97 -1.50 117.46 114.73 1uqr n PHE 78 Ca -0.01 0.17 0.01 0.00 -0.05 0.00 0.00 57.45 57.57 1uqr n PHE 78 Cb 0.20 -0.77 0.15 0.00 -0.94 0.00 0.00 39.48 38.12 1uqr n PHE 78 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1uqr h THR 79 N 0.00 1.14 0.00 4.37 2.02 -1.41 -0.05 112.91 118.98 1uqr h THR 79 Ca 0.00 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1uqr h THR 79 Cb 0.09 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.30 1uqr h THR 79 CO 0.00 0.23 -0.82 1.41 0.37 0.00 0.00 175.52 176.71 1uqr n HIS 80 N -4.47 0.28 0.00 3.16 8.25 -0.56 -0.88 115.22 121.00 1uqr n HIS 80 Ca 0.14 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1uqr n HIS 80 Cb 0.13 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1uqr n HIS 80 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1uqr n THR 81 N -1.89 0.00 -3.09 1.59 -2.24 -1.08 -4.83 114.28 102.73 1uqr n THR 81 Ca 0.03 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.36 1uqr n THR 81 Cb 0.41 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1uqr n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uqr s SER 82 N -1.85 6.41 0.28 3.42 0.15 -0.05 -4.80 113.70 117.26 1uqr s SER 82 Ca 0.00 -1.82 0.12 0.00 0.70 0.00 0.00 55.95 54.96 1uqr s SER 82 Cb 0.00 -2.31 0.35 0.00 -1.71 0.00 0.00 66.02 62.34 1uqr s SER 82 CO 0.00 -1.01 1.59 0.58 1.20 0.00 0.00 173.24 175.60 1uqr h VAL 83 N 5.68 1.30 -0.68 4.45 2.07 -1.93 -3.07 116.25 124.06 1uqr h VAL 83 Ca -0.10 -2.14 -0.05 0.00 0.82 0.00 0.00 66.70 65.23 1uqr h VAL 83 Cb 1.06 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 1uqr h VAL 83 CO 1.04 0.59 0.22 0.00 0.02 0.00 0.00 177.57 179.44 1uqr h ALA 84 N 1.40 1.12 -0.16 1.67 0.00 -1.98 -0.69 119.26 120.62 1uqr h ALA 84 Ca -0.01 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1uqr h ALA 84 Cb 1.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1uqr h ALA 84 CO 0.08 0.61 -0.64 0.82 0.00 0.00 0.00 179.25 180.12 1uqr h ILE 85 N 0.99 1.33 -0.22 0.00 2.04 -1.93 -1.58 117.51 118.14 1uqr h ILE 85 Ca 0.22 -1.91 0.03 0.00 1.00 0.00 0.00 64.86 64.20 1uqr h ILE 85 Cb 0.26 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1uqr h ILE 85 CO -0.01 0.59 0.05 -0.09 0.00 0.00 0.00 178.15 178.69 1uqr h ARG 86 N 0.43 0.13 0.00 2.37 2.43 -1.38 -1.39 114.38 116.97 1uqr h ARG 86 Ca -0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1uqr h ARG 86 Cb 1.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1uqr h ARG 86 CO 0.12 0.09 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.96 1uqr h ASP 87 N 0.13 0.00 -0.27 -3.80 3.32 -1.00 -1.32 116.42 113.47 1uqr h ASP 87 Ca 0.10 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1uqr h ASP 87 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1uqr h ASP 87 CO -0.13 0.27 -0.21 0.00 -1.72 0.00 0.00 179.24 177.46 1uqr h ALA 88 N 1.73 0.39 -0.55 3.45 0.00 -0.66 -0.02 119.26 123.61 1uqr h ALA 88 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1uqr h ALA 88 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1uqr h ALA 88 CO 0.04 0.34 0.01 -0.07 0.00 0.00 0.00 179.25 179.57 1uqr h LEU 89 N 0.36 0.91 -0.70 0.00 3.38 -0.94 -2.56 115.31 115.75 1uqr h LEU 89 Ca 0.05 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1uqr h LEU 89 Cb 0.75 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1uqr h LEU 89 CO 0.06 0.96 -0.43 -0.07 0.09 0.00 0.00 178.44 179.04 1uqr h LEU 90 N 0.87 0.52 -1.17 1.67 3.38 -1.16 -2.98 115.31 116.43 1uqr h LEU 90 Ca 0.16 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1uqr h LEU 90 Cb 0.50 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1uqr h LEU 90 CO 0.02 0.89 -0.24 0.00 0.09 0.00 0.00 178.44 179.20 1uqr h ALA 91 N 1.14 1.31 -0.01 1.53 0.00 -0.65 -3.01 119.26 119.57 1uqr h ALA 91 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1uqr h ALA 91 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1uqr h ALA 91 CO 0.08 0.47 -0.35 1.33 0.00 0.00 0.00 179.25 180.78 1uqr n VAL 92 N -4.16 0.00 -3.91 0.00 0.24 -1.00 -4.98 118.33 104.52 1uqr n VAL 92 Ca -0.01 -0.11 -0.28 0.00 -2.04 0.00 0.00 64.34 61.90 1uqr n VAL 92 Cb 0.36 0.46 0.02 0.00 -1.47 0.00 0.00 33.84 33.20 1uqr n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uqr n SER 93 N -0.80 -3.40 -4.37 -1.34 7.64 -1.13 -4.75 113.62 105.47 1uqr n SER 93 Ca 0.10 -0.84 -0.34 0.00 1.01 0.00 0.00 58.87 58.80 1uqr n SER 93 Cb 0.35 -3.71 -0.14 0.00 -1.01 0.00 0.00 64.21 59.71 1uqr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uqr s ILE 94 N -3.45 3.46 0.53 0.44 1.01 -1.26 -5.09 121.20 116.85 1uqr s ILE 94 Ca 0.46 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 1uqr s ILE 94 Cb -0.24 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1uqr s ILE 94 CO 0.84 0.46 1.32 -2.16 0.00 0.00 0.00 174.94 175.41 1uqr s PRO 95 N 0.95 3.23 0.07 2.79 0.04 -1.26 -4.77 135.00 136.05 1uqr s PRO 95 Ca -0.00 2.15 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 1uqr s PRO 95 Cb -0.15 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1uqr s PRO 95 CO 0.01 -1.09 0.15 -0.59 0.04 0.00 0.00 177.00 175.52 1uqr s PHE 96 N -1.35 0.19 -0.05 0.56 -0.71 -1.26 -1.37 117.98 113.98 1uqr s PHE 96 Ca 0.71 -0.60 0.06 0.00 -1.04 0.00 0.00 56.93 56.05 1uqr s PHE 96 Cb -0.38 -0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.31 1uqr s PHE 96 CO 0.45 -0.49 -0.23 0.42 -1.34 0.00 0.00 175.22 174.02 1uqr s ILE 97 N -3.62 2.23 -0.17 -4.49 1.01 -0.61 -0.29 121.20 115.27 1uqr s ILE 97 Ca 0.03 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1uqr s ILE 97 Cb 0.04 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1uqr s ILE 97 CO -0.10 0.57 0.22 -0.70 0.00 0.00 0.00 174.94 174.94 1uqr s GLU 98 N -0.27 4.15 -0.02 2.79 2.12 -0.68 -1.28 118.70 125.50 1uqr s GLU 98 Ca -0.00 -0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.34 1uqr s GLU 98 Cb -0.13 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1uqr s GLU 98 CO 0.03 0.33 -0.18 0.08 -0.54 0.00 0.00 175.26 174.97 1uqr s VAL 99 N 0.24 1.46 -0.06 3.70 1.01 -0.18 -1.34 120.40 125.23 1uqr s VAL 99 Ca 0.13 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1uqr s VAL 99 Cb -0.12 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1uqr s VAL 99 CO 0.02 0.41 -0.08 -1.00 0.00 0.00 0.00 175.10 174.45 1uqr s HIS 100 N -0.28 1.09 0.07 5.22 3.76 -0.39 -4.09 115.29 120.68 1uqr s HIS 100 Ca 0.03 -0.37 -0.20 0.00 -0.15 0.00 0.00 55.06 54.37 1uqr s HIS 100 Cb -0.09 -0.87 -0.11 0.00 1.11 0.00 0.00 32.58 32.63 1uqr s HIS 100 CO 0.00 -0.24 1.52 -0.07 -0.85 0.00 0.00 174.74 175.10 1uqr h LEU 101 N 7.14 0.29-10.44 0.89 3.38 -1.86 -1.97 115.31 112.74 1uqr h LEU 101 Ca -0.34 -0.28 -0.44 0.00 0.09 0.00 0.00 57.88 56.90 1uqr h LEU 101 Cb 1.17 -0.08 0.04 0.00 0.09 0.00 0.00 40.66 41.87 1uqr h LEU 101 CO 0.47 0.50 -0.10 -0.94 0.09 0.00 0.00 178.44 178.46 1uqr s SER 102 N -5.77 5.54 -0.74 -0.43 1.04 -1.26 -1.33 113.70 110.74 1uqr s SER 102 Ca -0.14 0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.09 1uqr s SER 102 Cb 0.06 -1.09 0.06 0.00 0.10 0.00 0.00 66.02 65.16 1uqr s SER 102 CO 0.72 -0.92 1.11 0.21 0.98 0.00 0.00 173.24 175.34 1uqr s ASN 103 N -4.33 6.25 0.52 7.02 3.84 -1.26 -2.12 114.94 124.84 1uqr s ASN 103 Ca 0.53 -0.99 0.19 0.00 0.21 0.00 0.00 52.86 52.80 1uqr s ASN 103 Cb -0.10 -2.47 1.30 0.00 -0.55 0.00 0.00 41.25 39.43 1uqr s ASN 103 CO 0.37 -1.52 2.08 -0.37 -2.79 0.00 0.00 177.10 174.87 1uqr h VAL 104 N 6.04 0.89 0.00 -5.21 -1.51 -1.92 -1.32 116.25 113.23 1uqr h VAL 104 Ca -0.20 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1uqr h VAL 104 Cb 1.05 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1uqr h VAL 104 CO 1.22 0.01 0.00 0.45 -1.23 0.00 0.00 177.57 178.02 1uqr h HIS 105 N 0.04 0.00 -0.02 5.19 3.86 -1.90 -2.61 115.15 119.70 1uqr h HIS 105 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1uqr h HIS 105 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1uqr h HIS 105 CO -0.00 0.00 -0.06 0.00 0.86 0.00 0.00 177.93 178.73 1uqr n ALA 106 N -1.98 2.66 -2.11 2.45 0.00 -0.50 -4.93 120.51 116.10 1uqr n ALA 106 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1uqr n ALA 106 Cb 0.28 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1uqr n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uqr n ARG 107 N 0.47 3.29 -1.73 0.00 1.74 -0.98 -5.07 116.66 114.37 1uqr n ARG 107 Ca 0.16 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.86 1uqr n ARG 107 Cb 0.45 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.95 1uqr n ARG 107 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1uqr n GLU 108 N 0.00 1.26 -0.19 5.56 4.71 -1.26 -4.90 120.64 125.82 1uqr n GLU 108 Ca 0.00 0.48 0.19 0.00 -0.01 0.00 0.00 57.16 57.82 1uqr n GLU 108 Cb 0.00 -2.55 0.55 0.00 -1.01 0.00 0.00 31.44 28.43 1uqr n GLU 108 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1uqr h PRO 109 N 0.74 0.32 0.00 3.49 0.11 -1.95 -0.37 132.00 134.34 1uqr h PRO 109 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1uqr h PRO 109 Cb 1.33 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uqr h PRO 109 CO 0.54 0.21 0.00 1.97 -0.21 0.00 0.00 178.00 180.51 1uqr n PHE 110 N -4.46 0.41 1.26 0.65 1.16 -1.26 -1.36 117.46 113.85 1uqr n PHE 110 Ca 0.17 0.17 0.13 0.00 -1.87 0.00 0.00 57.45 56.05 1uqr n PHE 110 Cb 0.66 -0.78 0.32 0.00 -1.61 0.00 0.00 39.48 38.08 1uqr n PHE 110 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1uqr n ARG 111 N -1.88 1.54 0.01 3.97 1.74 -0.15 -4.01 116.66 117.87 1uqr n ARG 111 Ca 0.02 -1.06 0.13 0.00 -0.77 0.00 0.00 57.85 56.17 1uqr n ARG 111 Cb 0.16 -1.48 0.58 0.00 -1.02 0.00 0.00 32.46 30.70 1uqr n ARG 111 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1uqr n HIS 112 N 0.19 0.07 -4.62 -1.55 8.25 -0.46 -4.68 115.22 112.42 1uqr n HIS 112 Ca 0.15 0.02 -0.34 0.00 -0.26 0.00 0.00 57.72 57.29 1uqr n HIS 112 Cb 0.42 -0.53 -0.12 0.00 1.12 0.00 0.00 29.99 30.88 1uqr n HIS 112 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1uqr s HIS 113 N -3.01 2.92 -0.04 4.41 5.65 -1.26 -5.01 115.29 118.96 1uqr s HIS 113 Ca 0.13 -0.13 0.03 0.00 0.25 0.00 0.00 55.06 55.34 1uqr s HIS 113 Cb 0.18 -1.77 0.00 0.00 -1.18 0.00 0.00 32.58 29.81 1uqr s HIS 113 CO 0.51 0.18 -0.13 0.45 -0.65 0.00 0.00 174.74 175.11 1uqr s SER 114 N -0.43 1.71 0.00 9.88 0.15 -1.26 -4.07 113.70 119.68 1uqr s SER 114 Ca 0.06 -0.27 0.21 0.00 0.70 0.00 0.00 55.95 56.65 1uqr s SER 114 Cb -0.12 -0.49 0.93 0.00 -1.71 0.00 0.00 66.02 64.62 1uqr s SER 114 CO 0.02 0.10 1.64 -1.22 1.20 0.00 0.00 173.24 174.98 1uqr n TYR 115 N 3.26 0.12 -0.02 3.44 4.01 -0.06 -4.05 117.16 123.86 1uqr n TYR 115 Ca -0.19 -0.06 -0.02 0.00 -0.16 0.00 0.00 57.90 57.47 1uqr n TYR 115 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.54 1uqr n TYR 115 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1uqr n LEU 116 N -0.10 1.08 -0.28 7.72 4.77 -1.26 -4.70 117.00 124.23 1uqr n LEU 116 Ca 0.16 -0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1uqr n LEU 116 Cb 0.24 -0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.57 1uqr n LEU 116 CO 0.13 0.26 0.97 0.28 -1.33 0.00 0.00 177.39 177.70 1uqr h SER 117 N 0.00 0.10 0.80 -1.43 0.02 -1.94 -1.40 113.55 109.71 1uqr h SER 117 Ca -0.10 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1uqr h SER 117 Cb 1.20 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1uqr h SER 117 CO -0.00 -0.06 0.00 -2.24 -1.14 0.00 0.00 176.83 173.39 1uqr h ASP 118 N 0.30 0.00 -0.09 3.07 -0.00 -1.88 -2.95 116.42 114.87 1uqr h ASP 118 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.53 1uqr h ASP 118 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.25 1uqr h ASP 118 CO -0.56 0.00 0.00 1.33 -0.00 0.00 0.00 179.24 180.01 1uqr n VAL 119 N -2.74 0.30 -2.46 4.15 0.24 -0.61 -5.01 118.33 112.21 1uqr n VAL 119 Ca 0.01 -0.65 -0.31 0.00 -2.04 0.00 0.00 64.34 61.35 1uqr n VAL 119 Cb 0.25 0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 33.57 1uqr n VAL 119 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uqr s ALA 120 N -0.79 3.19 0.16 2.33 0.00 -0.73 -4.85 121.76 121.07 1uqr s ALA 120 Ca 0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.91 1uqr s ALA 120 Cb 0.08 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1uqr s ALA 120 CO 0.11 -0.26 1.61 -0.22 0.00 0.00 0.00 175.76 176.99 1uqr h LYS 121 N 0.72 0.93 -2.71 0.00 1.63 -0.97 -3.47 116.57 112.70 1uqr h LYS 121 Ca -0.46 -0.31 0.10 0.00 -0.85 0.00 0.00 60.65 59.13 1uqr h LYS 121 Cb 1.19 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.69 1uqr h LYS 121 CO 0.62 0.96 0.38 0.20 -3.45 0.00 0.00 179.45 178.16 1uqr s GLY 122 N -3.49 -0.02 -0.00 5.01 0.00 -1.25 -5.06 107.32 102.51 1uqr s GLY 122 Ca -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1uqr s GLY 122 CO 0.83 0.26 -0.00 0.14 0.00 0.00 0.00 173.10 174.33 1uqr s VAL 123 N -3.13 0.05 -0.13 1.40 1.01 -1.26 -1.69 120.40 116.65 1uqr s VAL 123 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1uqr s VAL 123 Cb -0.04 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.30 1uqr s VAL 123 CO 0.06 0.03 -0.13 -0.63 0.00 0.00 0.00 175.10 174.43 1uqr s ILE 124 N 0.13 1.42 -0.03 2.22 1.01 -0.45 -4.98 121.20 120.51 1uqr s ILE 124 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1uqr s ILE 124 Cb -0.02 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1uqr s ILE 124 CO -0.00 0.43 -0.07 0.00 0.00 0.00 0.00 174.94 175.30 1uqr n GLY 126 N 3.49 0.79 1.57 0.00 0.00 -0.74 -4.76 105.19 105.54 1uqr n GLY 126 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1uqr n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uqr n LEU 127 N 0.00 4.66 0.00 0.99 4.77 -1.20 -4.63 117.00 121.59 1uqr n LEU 127 Ca 0.00 -2.36 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 1uqr n LEU 127 Cb 0.00 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1uqr n LEU 127 CO 0.00 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1uqr n GLY 128 N 0.88 0.58 0.29 -0.72 0.00 -0.44 -3.19 105.19 102.59 1uqr n GLY 128 Ca 0.24 -0.83 0.16 0.00 0.00 0.00 0.00 46.02 45.59 1uqr n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 129 N -0.79 1.34 0.00 4.61 0.00 -1.94 -1.61 119.26 120.86 1uqr h ALA 129 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uqr h ALA 129 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1uqr h ALA 129 CO 0.00 0.05 -0.01 0.87 0.00 0.00 0.00 179.25 180.16 1uqr h LYS 130 N 0.00 0.00 -0.52 0.00 1.57 -1.97 -1.41 116.57 114.24 1uqr h LYS 130 Ca -0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1uqr h LYS 130 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1uqr h LYS 130 CO 0.01 0.01 0.35 0.78 -0.57 0.00 0.00 179.45 180.02 1uqr h GLY 131 N 0.10 0.64 1.21 3.86 0.00 -1.38 -1.00 103.07 106.50 1uqr h GLY 131 Ca -0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 1uqr h GLY 131 CO 0.00 0.18 -0.32 -0.97 0.00 0.00 0.00 176.54 175.43 1uqr h TYR 132 N 0.55 1.03 -0.29 5.60 0.05 -1.45 -2.07 116.97 120.39 1uqr h TYR 132 Ca 0.21 -0.28 0.02 0.00 0.05 0.00 0.00 58.73 58.73 1uqr h TYR 132 Cb 0.16 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1uqr h TYR 132 CO -0.00 1.08 0.15 -0.44 -1.05 0.00 0.00 178.16 177.89 1uqr h ASP 133 N 0.73 0.22 -0.67 3.88 3.45 -1.25 -0.36 116.42 122.43 1uqr h ASP 133 Ca 0.08 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 1uqr h ASP 133 Cb 0.89 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.60 1uqr h ASP 133 CO 0.08 0.16 0.17 1.88 -1.57 0.00 0.00 179.24 179.96 1uqr h TYR 134 N 0.30 1.13 -0.59 4.55 0.05 -1.31 -1.53 116.97 119.58 1uqr h TYR 134 Ca 0.12 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1uqr h TYR 134 Cb 0.03 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 1uqr h TYR 134 CO -0.09 0.92 0.22 0.00 -1.05 0.00 0.00 178.16 178.16 1uqr h ALA 135 N 1.15 1.28 -0.34 3.88 0.00 -0.96 -0.93 119.26 123.34 1uqr h ALA 135 Ca 0.22 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1uqr h ALA 135 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1uqr h ALA 135 CO 0.00 0.53 -0.21 1.25 0.00 0.00 0.00 179.25 180.82 1uqr h LEU 136 N 0.85 0.77 -0.72 0.00 5.85 -0.63 -0.44 115.31 120.99 1uqr h LEU 136 Ca 0.20 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1uqr h LEU 136 Cb 0.19 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1uqr h LEU 136 CO -0.02 1.03 0.44 -0.78 -0.34 0.00 0.00 178.44 178.78 1uqr h ASP 137 N 0.51 0.85 -0.38 1.25 1.82 -0.93 -1.67 116.42 117.88 1uqr h ASP 137 Ca 0.07 -0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.57 1uqr h ASP 137 Cb 0.77 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1uqr h ASP 137 CO 0.06 0.65 -0.10 0.15 -1.61 0.00 0.00 179.24 178.40 1uqr h PHE 138 N 0.98 0.83 -0.35 0.28 3.57 -1.03 -1.96 116.94 119.26 1uqr h PHE 138 Ca 0.26 -0.18 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1uqr h PHE 138 Cb -0.05 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 1uqr h PHE 138 CO -0.01 0.88 0.05 0.00 -2.23 0.00 0.00 178.31 176.99 1uqr h ALA 139 N 0.83 0.35 -0.83 2.41 0.00 -0.77 -0.86 119.26 120.39 1uqr h ALA 139 Ca 0.10 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1uqr h ALA 139 Cb 0.62 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1uqr h ALA 139 CO 0.04 -0.36 0.39 0.82 0.00 0.00 0.00 179.25 180.15 1uqr h ILE 140 N 0.16 1.26 -0.26 0.00 2.04 -1.24 -1.13 117.51 118.34 1uqr h ILE 140 Ca 0.17 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1uqr h ILE 140 Cb 0.20 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1uqr h ILE 140 CO -0.24 0.31 -0.03 0.77 0.00 0.00 0.00 178.15 178.96 1uqr h SER 141 N 1.19 0.37 -0.23 1.72 4.64 -0.60 0.03 113.55 120.65 1uqr h SER 141 Ca 0.29 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.35 1uqr h SER 141 Cb 0.13 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1uqr h SER 141 CO -0.03 0.46 -0.62 -0.33 -0.87 0.00 0.00 176.83 175.44 1uqr h GLU 142 N 0.38 0.83 0.00 4.77 4.39 -0.57 -2.68 114.58 121.71 1uqr h GLU 142 Ca 0.08 -0.58 -0.08 0.00 0.34 0.00 0.00 59.36 59.12 1uqr h GLU 142 Cb 0.31 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1uqr h GLU 142 CO 0.01 1.21 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.60 1uqr h LEU 143 N 0.59 0.00 -0.50 1.33 3.38 -0.74 -2.78 115.31 116.60 1uqr h LEU 143 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1uqr h LEU 143 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1uqr h LEU 143 CO 0.13 0.40 -0.48 1.56 0.09 0.00 0.00 178.44 180.14 1uqr h GLN 144 N 0.00 0.68 -0.27 1.13 4.20 -0.91 -3.05 115.11 116.90 1uqr h GLN 144 Ca -0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1uqr h GLN 144 Cb 0.76 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1uqr h GLN 144 CO 0.05 1.01 0.00 1.63 -0.67 0.00 0.00 178.83 180.85 1uqr n LYS 145 N -4.00 0.58 0.00 1.46 5.02 -1.02 -5.11 118.16 115.09 1uqr n LYS 145 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1uqr n LYS 145 Cb 0.58 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 1uqr n LYS 145 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32